SCHEMBL31036675

SCHEMBL31036675

N#Cc1ccc(C(=O)CC2OC(=O)c3ccccc3S2)cc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.41
SIGMAR1 Q99720 1/20 0.39
HSD11B1 P28845 1/20 0.38
MAPT P10636 4/20 0.37
LMNA P02545 3/20 0.37
POLB P06746 1/20 0.37
TP53 P04637 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CA1 P00915 3/20 0.35
CA2 P00918 3/20 0.35
CCKBR P32239 1/20 0.35
KDM4E B2RXH2 1/20 0.34
NSD2 O96028 1/20 0.34
NSD3 Q9BZ95 1/20 0.34
CA12 O43570 1/20 0.34
CA9 Q16790 1/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL31036753 0.86 MAPT (0.41) GSK3BMAPTLMNATP53SMN1; SMN2
SCHEMBL31036724 0.84 SMN1; SMN2 (0.51) GSK3BHSD11B1MAPTLMNAPOLB
SCHEMBL31036644 0.84 MAPT (0.41) GSK3BHSD11B1MAPTLMNAPOLB
SCHEMBL31036760 0.84 HTT (0.46) GSK3BHSD11B1MAPTLMNAPOLB
SCHEMBL31036768 0.84 NPC1 (0.39) SIGMAR1HSD11B1MAPTLMNASMN1; SMN2
SCHEMBL31036700 0.81 MAPT (0.56) GSK3BHSD11B1MAPTLMNAKDM4E
SCHEMBL31036758 0.80 GSK3B (0.43) GSK3BHSD11B1MAPTPOLBKDM4E
SCHEMBL31036776 0.78 MEN1 (0.43) MAPTLMNAPOLBSMN1; SMN2KDM4E
SCHEMBL12700339 0.76 LMNA (0.58) GSK3BSIGMAR1HSD11B1MAPTLMNA
SCHEMBL31036712 0.75 ERCC5 (0.47) MAPTLMNAPOLBSMN1; SMN2KDM4E

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024214103-A1 A DENTAL COMPOSITE AND METHOD OF PHOTO-INDUCED POLYMERISATION USING NOVEL CO-INITIATOR SHIV NADAR (INSTITUTION OF EMINENCE DEEMED TO BE UNIVERSITY) (IN) 2024-10-17 WO claimed
WO-2024189634-A1 HIGHLY ATOM ECONOMICAL PROCESS FOR SYNTHESIS OF NOVEL CO-INITIATOR FOR PHOTO-INDUCED RADICAL POLYMERISATION SHIV NADAR (INSTITUTION OF EMINENCE DEEMED TO BE UNIVERSITY) (IN) 2024-09-19 WO claimed
WO-2024214103-A1 A DENTAL COMPOSITE AND METHOD OF PHOTO-INDUCED POLYMERISATION USING NOVEL CO-INITIATOR SHIV NADAR (INSTITUTION OF EMINENCE DEEMED TO BE UNIVERSITY) (IN) 2024-10-17 WO disclosed
WO-2024189634-A1 HIGHLY ATOM ECONOMICAL PROCESS FOR SYNTHESIS OF NOVEL CO-INITIATOR FOR PHOTO-INDUCED RADICAL POLYMERISATION SHIV NADAR (INSTITUTION OF EMINENCE DEEMED TO BE UNIVERSITY) (IN) 2024-09-19 WO disclosed